BDBM50134832 4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-6-methoxy-pyran-2-one::CHEMBL144553

SMILES: COc1cc(-c2ccc(F)cc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1

InChI Key: InChIKey=LNFJPTONXIOJGU-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50134832   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50134832 (4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-6...) Show SMILES COc1cc(-c2ccc(F)cc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C19H15FO5S/c1-24-17-11-16(12-3-7-14(20)8-4-12)18(19(21)25-17)13-5-9-15(10-6-13)26(2,22)23/h3-11H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity against Prostaglandin G/H synthase 1 (COX-1)				J Med Chem 46: 4872-82 (2003) Article DOI: 10.1021/jm0302391 BindingDB Entry DOI: 10.7270/Q20V8DHZ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Bos taurus)	BDBM50134832 (4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-6...) Show SMILES COc1cc(-c2ccc(F)cc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1 Show InChI InChI=1S/C19H15FO5S/c1-24-17-11-16(12-3-7-14(20)8-4-12)18(19(21)25-17)13-5-9-15(10-6-13)26(2,22)23/h3-11H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 46: 4872-82 (2003) Article DOI: 10.1021/jm0302391 BindingDB Entry DOI: 10.7270/Q20V8DHZ
					More data for this Ligand-Target Pair